1-(3,4-dihydro-2H-chromen-4-yl)-N,N,5-trimethylpyrrol-3-amine

C16H20N2O — CID 175297134

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-N,N,5-trimethylpyrrol-3-amine
SMILESCc1cc(N(C)C)cn1C1CCOc2ccccc21
InChIInChI=1S/C16H20N2O/c1-12-10-13(17(2)3)11-18(12)15-8-9-19-16-7-5-4-6-14(15)16/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyICGBVWGIUPYSHS-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.23
Rot. Bonds2

About 1-(3,4-dihydro-2H-chromen-4-yl)-N,N,5-trimethylpyrrol-3-amine

1-(3,4-dihydro-2H-chromen-4-yl)-N,N,5-trimethylpyrrol-3-amine (PubChem CID 175297134) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-N,N,5-trimethylpyrrol-3-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-N,N,5-trimethylpyrrol-3-amine
PubChem CID175297134
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-N,N,5-trimethylpyrrol-3-amine
SMILESCc1cc(N(C)C)cn1C1CCOc2ccccc21
InChIInChI=1S/C16H20N2O/c1-12-10-13(17(2)3)11-18(12)15-8-9-19-16-7-5-4-6-14(15)16/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyICGBVWGIUPYSHS-UHFFFAOYSA-N
XLogP3.23
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine
CID 79101117
(1R)-1-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine
CID 104942975
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
1-(3,4-dihydro-2H-chromen-4-yl)-4-iodo-3-methylpyrazol-5-amine
CID 55118042
(4S)-4-iodo-3,4-dihydro-2H-chromene
CID 146562180
2-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine
CID 114720098
1-(3,4-dihydro-2H-chromen-4-yl)-3-propan-2-ylpiperazine
CID 64953170
1-(3,4-dihydro-2H-chromen-4-yl)-N,4-dimethylpiperidin-4-amine
CID 115303934
6-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79274894
1-(3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-one
CID 62365917
ethyl 4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carboxylate
CID 110400066
1-(3,4-dihydro-2H-chromen-4-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63100742

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N,N,5-trimethylpyrrol-3-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N,N,5-trimethylpyrrol-3-amine (CID 175297134) is 1-(3,4-dihydro-2H-chromen-4-yl)-N,N,5-trimethylpyrrol-3-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-N,N,5-trimethylpyrrol-3-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-N,N,5-trimethylpyrrol-3-amine is Cc1cc(N(C)C)cn1C1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-N,N,5-trimethylpyrrol-3-amine?
The InChIKey is ICGBVWGIUPYSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-10-13(17(2)3)11-18(12)15-8-9-19-16-7-5-4-6-14(15)16/h4-7,10-11,15H,8-9H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-N,N,5-trimethylpyrrol-3-amine?
1-(3,4-dihydro-2H-chromen-4-yl)-N,N,5-trimethylpyrrol-3-amine has a molecular weight of 256.35 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-N,N,5-trimethylpyrrol-3-amine is sourced from PubChem (CID 175297134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).